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- W2074405145 abstract "Molecular orbital calculations for UC and UN are carried out by the Xα discreet variational method, considering octahedral UC620− and UN615− clusters. The main features of photoemission spectra are well described by the calculations. Whereas the highest occupied levels are composed mainly of 5f U orbitals, the levels, responsible for chemical bonding, contain important admixtures of 5f, 6d U orbitals with 2p (C(N) orbitals." @default.
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- W2074405145 date "1980-01-01" @default.
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- W2074405145 title "Electronic structure of UC and UN and its comparison with photoemission spectra" @default.
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- W2074405145 doi "https://doi.org/10.1016/0022-1902(80)80221-1" @default.
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